PyHDX version 0.3.1
Major changes:
- Estimate errors in ΔG fit from covariances obtained from the Hessian
- Allow fitting of multiple 'states' (conditions) in batch
- Allow fitting of 2 aligned (homologous) protein conditions in batch
- Added console entry script such that the pyhdx server can be started with
pyhdx serve(#191)
Minor changes:
- Input/output data table formats are now in comma separated values (.csv) format
- Updated support for reloading and fitting data in batch from .yaml files
- Updated
rgb_to_hexfunction to work on arrays (vectorized) - Added a colorbar to plotting of peptides (in
plot.py) - Refactored
k_seriestoseriesinKineticsFittingobjects - Refactored
covtocoverageinKineticsSeriesobjects - Updates to docstrings
- Protein full sequences can optionally be added to
Proteinobjects - Moved fitting loop to separate function outside of main fitting object
- Protein objects now more closely mimic pandas' dataframes
Web application updates:
- 'Scores' (RFU) can be obtained as a table from the GUI
- User feedback on relative contribution of regularizer to fit result
- Control sidebar is now formatted as accordions where only one can be opened at a time
- Panel requirement bumped to >= 0.11, fixing scrolling issues in sidebar
- Added config file, currently lists default Dask cluster address to use
- Various bug fixes!